N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzohydrazide

C16H11ClFN3OS — CID 91558416

IUPACN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzohydrazide
SMILESNN(C(=O)c1ccccc1F)c1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C16H11ClFN3OS/c17-11-7-5-10(6-8-11)14-9-23-16(20-14)21(19)15(22)12-3-1-2-4-13(12)18/h1-9H,19H2
InChIKeyLXETVCVXZYTRRQ-UHFFFAOYSA-N
MW347.80 g/mol
LogP4.12
Rot. Bonds3

About N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzohydrazide

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzohydrazide (PubChem CID 91558416) has the molecular formula C16H11ClFN3OS and a molecular weight of 347.80 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzohydrazide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzohydrazide
PubChem CID91558416
Molecular FormulaC16H11ClFN3OS
Molecular Weight347.80 g/mol
Exact Mass347.03
IUPAC NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzohydrazide
SMILESNN(C(=O)c1ccccc1F)c1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C16H11ClFN3OS/c17-11-7-5-10(6-8-11)14-9-23-16(20-14)21(19)15(22)12-3-1-2-4-13(12)18/h1-9H,19H2
InChIKeyLXETVCVXZYTRRQ-UHFFFAOYSA-N
XLogP4.12
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzohydrazide?
The IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzohydrazide (CID 91558416) is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzohydrazide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzohydrazide?
The canonical SMILES for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzohydrazide is NN(C(=O)c1ccccc1F)c1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzohydrazide?
The InChIKey is LXETVCVXZYTRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN3OS/c17-11-7-5-10(6-8-11)14-9-23-16(20-14)21(19)15(22)12-3-1-2-4-13(12)18/h1-9H,19H2.
What are the key properties of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzohydrazide?
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzohydrazide has a molecular weight of 347.80 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzohydrazide is sourced from PubChem (CID 91558416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).